N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide

C17H24N4OS — CID 53499394

IUPACN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide
SMILESCC1CCN(C(CNC(=O)Cn2cccn2)c2cccs2)CC1
InChIInChI=1S/C17H24N4OS/c1-14-5-9-20(10-6-14)15(16-4-2-11-23-16)12-18-17(22)13-21-8-3-7-19-21/h2-4,7-8,11,14-15H,5-6,9-10,12-13H2,1H3,(H,18,22)
InChIKeyJOVYVGHBRSLWKO-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide (PubChem CID 53499394) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide
PubChem CID53499394
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide
SMILESCC1CCN(C(CNC(=O)Cn2cccn2)c2cccs2)CC1
InChIInChI=1S/C17H24N4OS/c1-14-5-9-20(10-6-14)15(16-4-2-11-23-16)12-18-17(22)13-21-8-3-7-19-21/h2-4,7-8,11,14-15H,5-6,9-10,12-13H2,1H3,(H,18,22)
InChIKeyJOVYVGHBRSLWKO-UHFFFAOYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide (CID 53499394) is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide is CC1CCN(C(CNC(=O)Cn2cccn2)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is JOVYVGHBRSLWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-14-5-9-20(10-6-14)15(16-4-2-11-23-16)12-18-17(22)13-21-8-3-7-19-21/h2-4,7-8,11,14-15H,5-6,9-10,12-13H2,1H3,(H,18,22).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide?
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 332.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 53499394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).